Introduction：Basic information about CAS 564-37-4|(8alpha)-12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trion, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (8alpha)-12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione |
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| CAS Number | 564-37-4 | Molecular Weight | 561.672 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 858.3±65.0 °C at 760 mmHg |
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| Molecular Formula | C31H39N5O5 | Melting Point | / |
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| MSDS | / | Flash Point | 472.9±34.3 °C |
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Names
| Name | (5'α,8α)-12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotam |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 858.3±65.0 °C at 760 mmHg |
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| Molecular Formula | C31H39N5O5 |
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| Molecular Weight | 561.672 |
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| Flash Point | 472.9±34.3 °C |
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| Exact Mass | 561.295105 |
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| PSA | 121.70000 |
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| LogP | 3.55 |
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| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
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| Index of Refraction | 1.689 |
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| InChIKey | UJYGDMFEEDNVBF-KMKPOGODSA-N |
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| SMILES | CC(C)C1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12 |
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Safety Information
| RIDADR | UN 1544 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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Synonyms
| Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'α,8α)- |
| 12'-Hydroxy-2',5'a-bis(1-methylethyl)-8a-ergotaman-3',6',18-trione |
| (5'α,8α)-12'-hydroxy-3',6',18-trioxo-2',5'-di(propan-2-yl)ergotaman |
| (8α)-12'-Hydroxy-2',5'α-diisopropylergotaman-3',6',18-trione |
| Ergotaman, 12'-hydroxy-2',5'-bis(1-methylethyl)-3',6',18-trioxo-, (5'α,8α)- |
| (5'α,8α)-12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman |
